通过对人口规模质谱学数据集的回顾性分析来识别新兴的新型精神活性物质
Michael A Skinnider1,2,3, Sandrine A M Mérette4, Daniel Pasin5
1Michael Smith Laboratories, University of British Columbia, Vancouver, British Columbia V6T 1Z4, Canada.
Analytical chemistry
|November 15, 2023
概括
法医实验室现在可以通过对质谱数据的回顾性分析来优先考虑新设计药物检测. 这种方法有助于识别新兴精神活性物质 (NPS),并指导获取关键的分析参考材料.
科学领域:
- 法医化学 法医化学
- 分析化学 分析化学
- 毒理学 毒理学 毒理学
背景情况:
- 数百种新的精神活性物质 (NPS) 或设计药物已经出现,构成重大公共健康风险.
- 在法医样本中准确识别NPS需要分析参考材料,由于新化合物的快速出现,这些分析参考材料具有挑战性.
研究的目的:
- 制定一个数据驱动的战略,以优先考虑新兴的NPS用于测试开发.
- 评估用于识别NPSs的质谱数据的追溯嫌疑人查的有效性.
主要方法:
- 创建了一个83个新兴NPS的嫌疑人数据库.
- 从12,727个尿液药物查中的质谱数据被追溯查.
- 综合计算策略被用来优先识别和跟踪频率超过三年.
主要成果:
- 追溯选确定了新兴的NPS,指导获取新的参考材料.
- 追溯分析的准确性与临床报告进行了比较.
- 该研究成功地追踪了在三年内识别的NPS的频率.
结论:
- 对人口规模质谱数据的回顾性嫌疑人选为优先考虑新兴NPS提供了一个可行的平台.
- 这种方法可以快速检测非法毒品,并优化了法医实验室获得必要的参考材料.
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